N-(4-methoxyphenyl)-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C24H24N3O4S2+ MolecularWeight: 482.59506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H23N3O4S2/c1-30-20-8-6-19(7-9-20)25-33(28,29)21-10-11-23-22(14-21)27(24(32)31-23)16-26-13-12-17-4-2-3-5-18(17)15-26/h2-11,14,25H,12-13,15-16H2,1H3/p+1